1-(4-Nitrophenyl)cyclobutanecarboxylic Acid - CAS 202737-42-6
Catalog: |
BB015751 |
Product Name: |
1-(4-Nitrophenyl)cyclobutanecarboxylic Acid |
CAS: |
202737-42-6 |
Synonyms: |
1-(4-nitrophenyl)-1-cyclobutanecarboxylic acid; 1-(4-nitrophenyl)cyclobutane-1-carboxylic acid |
IUPAC Name: | 1-(4-nitrophenyl)cyclobutane-1-carboxylic acid |
Description: | 1-(4-Nitrophenyl)cyclobutanecarboxylic Acid (CAS# 202737-42-6) is a useful research chemical. |
Molecular Weight: | 221.21 |
Molecular Formula: | C11H11NO4 |
Canonical SMILES: | C1CC(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
InChI: | InChI=1S/C11H11NO4/c13-10(14)11(6-1-7-11)8-2-4-9(5-3-8)12(15)16/h2-5H,1,6-7H2,(H,13,14) |
InChI Key: | LCFMHXAUNXCFAH-UHFFFAOYSA-N |
MDL: | MFCD11037075 |
LogP: | 2.62430 |
Publication Number | Title | Priority Date |
WO-2019074747-A1 | NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) | 20171009 |
EP-3694502-A1 | Novel substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171009 |
US-2020277252-A1 | Novel substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20171009 |
EP-3661909-A1 | Novel substituted phenyl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20170802 |
US-2020216443-A1 | Novel substituted phenyl compounds as indoleamine 2,3-dioxygenase (ido) inhibitors | 20170802 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.06880783 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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